N-[[1-(3-nitro-4-phenylazanyl-phenyl)carbonylpiperidin-3-yl]methyl]methanesulfonamide

Systemtic Name: N-[[1-(3-nitro-4-phenylazanyl-phenyl)carbonylpiperidin-3-yl]methyl]methanesulfonamide Openeye Name: N-[[1-(4-anilino-3-nitro-benzoyl)-3-piperidyl]methyl]methanesulfonamide CAS Name: N-[[1-[(4-anilino-3-nitrophenyl)-oxomethyl]-3-piperidinyl]methyl]methanesulfonamide IUPAC Name: N-[[1-(4-anilino-3-nitrobenzoyl)piperidin-3-yl]methyl]methanesulfonamide Traditional Name: N-[[1-(4-anilino-3-nitro-benzoyl)-3-piperidyl]methyl]methanesulfonamide Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)NCC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5S/c1-30(28,29)21-13-15-6-5-11-23(14-15)20(25)16-9-10-18(19(12-16)24(26)27)22-17-7-3-2-4-8-17/h2-4,7-10,12,15,21-22H,5-6,11,13-14H2,1H3